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	hartrees
Energy at 0K	-131.934671
Energy at 298.15K	-131.937191
HF Energy	-131.934671
Nuclear repulsion energy	60.785176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3052	1.78
2	A'	3093	2985	11.48
3	A'	2004	1934	175.82
4	A'	1517	1464	4.88
5	A'	1214	1171	4.76
6	A'	862	832	403.31
7	A'	750	724	113.76
8	A'	489	472	21.41
9	A"	3262	3148	6.34
10	A"	1162	1121	4.12
11	A"	972	938	9.57
12	A"	354	342	5.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.152	-1.177	0.000
N2	0.000	0.101	0.000
C3	-0.300	1.286	0.000
H4	0.213	-1.716	0.936
H5	0.213	-1.716	-0.936
H6	0.459	2.073	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2865	2.5039	1.0823	1.0823	3.2645
N2	1.2865		1.2227	2.0549	2.0549	2.0254
C3	2.5039	1.2227		3.1862	3.1862	1.0939
H4	1.0823	2.0549	3.1862		1.8727	3.9111
H5	1.0823	2.0549	3.1862	1.8727		3.9111
H6	3.2645	2.0254	1.0939	3.9111	3.9111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.597	N2	C1	H4	120.097
N2	C1	H5	120.097	N2	C3	H6	121.830
H4	C1	H5	119.806

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.181
2	N	-0.482
3	C	0.027
4	H	0.213
5	H	0.213
6	H	0.210

	x	y	z	Total
	1.458	-0.618	0.000	1.583
CHELPG
AIM
ESP

	x	y	z
x	1.872	-0.921	0.000
y	-0.921	8.242	0.000
z	0.000	0.000	2.290

<r²>	42.311
(<r²>)^1/2	6.505

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)